SCHEMBL10074640

SCHEMBL10074640

COc1ccc2c(CBr)nn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.39
CNR2 P34972 1/20 0.39
BRD4 O60885 2/20 0.37
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 2/20 0.35
STS P08842 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
MAP2K4 P45985 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM1A O60341 1/20 0.35
ELANE P08246 1/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSD17B10 Q99714 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8426868 0.84 MAP2K4 (0.37) BRD4MAP2K4KDM1A
SCHEMBL15687671 0.84 BRD4 (0.38) BRD4ALDH1A1MAP2K4KDM4EHPGD
SCHEMBL13794562 0.83 DYRK1A (0.44) DYRK1ACNR2BRD4ALDH1A1STS
SCHEMBL1940310 0.82 DYRK1A (0.39) DYRK1ACNR2BRD4KDM4C
SCHEMBL15578604 0.81 DYRK1A (0.39) DYRK1ACNR2BRD4BACE1ALDH1A1
SCHEMBL29588521 0.81 CHRM2 (0.43) CNR2ALDH1A1MAP2K4ELANEKDM4E
SCHEMBL3347471 0.81 CHRM2 (0.43) CNR2ALDH1A1MAP2K4ELANEKDM4E
SCHEMBL13794080 0.81 DYRK1A (0.37) DYRK1ACNR2BRD4ALDH1A1STS
SCHEMBL2922296 0.81 ELANE (0.41) CNR2BRD4ALDH1A1ELANEMEN1
SCHEMBL13793993 0.80 ALDH1A1 (0.41) DYRK1ACNR2BRD4ALDH1A1STS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562909-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK SHARP & DOHME (US) 2012-06-27 EP disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
EP-1663987-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-03-18 EP disclosed
US-7410992-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-12 US disclosed
US-7410992-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-12 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 US disclosed
US-20070010491-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-01-11 US disclosed
US-20070010491-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-01-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070010491-A1 Ophthalmic compositions for treating ocular hypertension REN, KCNH2, KCNH3 DYRK1A 4099/4885CNR2 273/4885BRD4 1696/4885
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 DYRK1A 4545/4885CNR2 744/4885BRD4 3453/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.